SCHEMBL20804010

SCHEMBL20804010

CC(C)c1ccc(CN2CCN(C3COC3)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 5/20 0.42
ENPP2 Q13822 1/20 0.41
IDH1 O75874 3/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12028961 0.81 HRH3 (0.51) HRH3
SCHEMBL20255452 0.80 TRPV6 (0.44) TRPV6PDCD1LG2CD274MEN1KMT2A
SCHEMBL20037713 0.80 MTOR (0.45) TRPV6PDCD1LG2CD274MEN1KMT2A
SCHEMBL20249358 0.80 TRPV6 (0.42) TRPV6PDCD1LG2CD274MEN1KMT2A
SCHEMBL17660303 0.79 LMNA (0.50) PRMT5WDR77MEN1KMT2AATM
SCHEMBL20203451 0.79 ALDH1A1 (0.51) PRMT5WDR77MEN1KMT2AATM
SCHEMBL12028959 0.79 HRH3 (0.47) PRMT5WDR77CD274MEN1KMT2A
SCHEMBL4547913 0.79 HRH3 (0.50) PRMT5WDR77TSHRHRH3
SCHEMBL25896863 0.78 HRH3 (0.53) MEN1KMT2ATSHRHRH3
SCHEMBL10255059 0.77 ENPP2 (0.45) ENPP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633350-B2 Diphenyl derivatives and uses thereof NOVARTIS AG (CH) 2020-04-28 US disclosed
US-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2019-03-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF MYOF, NGF, MUSK TRPV6 1610/4885ENPP2 2295/4885IDH1 2476/4885
US-10633350-B2 Diphenyl derivatives and uses thereof MYOF, NGF, MUSK TRPV6 1610/4885ENPP2 2295/4885IDH1 2476/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.